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1NX4
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BU of 1nx4 by Molmil
The crystal structure of carbapenem synthase (CarC)
Descriptor: 2-OXOGLUTARIC ACID, Carbapenem synthase, FE (III) ION
Authors:Clifton, I.J, Doan, L.X, Sleeman, M.C, Topf, M, Suzuki, H, Wilmouth, R.C, Schofield, C.J.
Deposit date:2003-02-08
Release date:2003-06-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of carbapenem synthase (CarC).
J.Biol.Chem., 278, 2003
1NX8
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Structure of carbapenem synthase (CarC) complexed with N-acetyl proline
Descriptor: 1-ACETYL-L-PROLINE, 2-OXOGLUTARIC ACID, Carbapenem synthase, ...
Authors:Clifton, I.J, Doan, L.X, Sleeman, M.C, Topf, M, Suzuki, H, Wilmouth, R.C, Schofield, C.J.
Deposit date:2003-02-10
Release date:2003-06-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of carbapenem synthase (CarC).
J.Biol.Chem., 278, 2003
1E5S
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BU of 1e5s by Molmil
Proline 3-hydroxylase (type II) - Iron form
Descriptor: FE (II) ION, PROLINE OXIDASE, SULFATE ION
Authors:Clifton, I.J, Hsueh, L.C, Baldwin, J.E, Schofield, C.J, Harlos, K.
Deposit date:2000-07-28
Release date:2001-07-26
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of proline 3-hydroxylase. Evolution of the family of 2-oxoglutarate dependent oxygenases.
Eur.J.Biochem., 268, 2001
1E5R
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Proline 3-hydroxylase (type II) -apo form
Descriptor: PROLINE OXIDASE
Authors:Clifton, I.J, Hsueh, L.C, Baldwin, J.E, Schofield, C.J, Harlos, K.
Deposit date:2000-07-28
Release date:2001-07-26
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of proline 3-hydroxylase. Evolution of the family of 2-oxoglutarate dependent oxygenases.
Eur.J.Biochem., 268, 2001
3ZOI
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BU of 3zoi by Molmil
ISOPENICILLIN N SYNTHASE WITH AC-O-METHYL-D-THREONINE
Descriptor: DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-O-METHYL-D-THREONINE, FE (III) ION, GLYCEROL, ...
Authors:Rutledge, P.J, Clifton, I.J, Ge, W.
Deposit date:2013-02-21
Release date:2013-06-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The Crystal Structure of an Isopenicillin N Synthase Complex with an Ethereal Substrate Analogue Reveals Water in the Oxygen Binding Site.
FEBS Lett., 587, 2013
2Y60
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Isopenicillin N synthase with AC-D-methionine
Descriptor: FE (III) ION, GLYCEROL, ISOPENICILLIN N SYNTHASE, ...
Authors:Rutledge, P.J, Clifton, I.J, Ge, W.
Deposit date:2011-01-19
Release date:2012-02-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Crystal Structure of Isopenicillin N Synthase with Delta((L)-Alpha-Aminoadipoyl)-(L)-Cysteinyl-(D)-Methionine Reveals Thioether Coordination to Iron.
Arch.Biochem.Biophys., 516, 2011
2Y6F
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Isopenicillin N synthase with AC-D-S-methyl-3R-methylcysteine
Descriptor: (2S)-2-AMINO-6-[[(2R)-1-[[(2S)-1-HYDROXY-3-METHYLSULFANYL-1-OXO-BUTAN-2-YL]AMINO]-1-OXO-3-SULFANYL-PROPAN-2-YL]AMINO]-6-OXO-HEXANOIC ACID, FE (III) ION, ISOPENICILLIN N SYNTHASE, ...
Authors:Rutledge, P.J, Clifton, I.J, Ge, W.
Deposit date:2011-01-21
Release date:2011-08-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Isopenicillin N Synthase Binds Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D-Thia-Allo-Isoleucine Through Both Sulfur Atoms.
Chembiochem, 12, 2011
2IVJ
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BU of 2ivj by Molmil
Isopenicillin N Synthase From Aspergillus Nidulans (Anaerobic Ac- cyclopropylglycine Fe Complex)
Descriptor: D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-CYCLOPROPYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ...
Authors:Howard-Jones, A.R, Elkins, J.M, Clifton, I.J, Roach, P.L, Adlington, R.M, Baldwin, J.E, Rutledge, P.J.
Deposit date:2006-06-13
Release date:2007-04-10
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Interactions of Isopenicillin N Synthase with Cyclopropyl-Containing Substrate Analogues Reveal New Mechanistic Insight.
Biochemistry, 46, 2007
2IVI
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Isopenicillin N Synthase From Aspergillus Nidulans (Anaerobic Ac- methyl-cyclopropylglycine Fe Complex)
Descriptor: D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-B-METHYL-D-CYCLOPROPYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ...
Authors:Elkins, J.M, Howard-Jones, A.R, Clifton, I.J, Roach, P.L, Adlington, R.M, Baldwin, J.E, Rutledge, P.J.
Deposit date:2006-06-13
Release date:2007-04-10
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Interactions of Isopenicillin N Synthase with Cyclopropyl-Containing Substrate Analogues Reveal New Mechanistic Insight.
Biochemistry, 46, 2007
7PJN
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Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and inhibitor DS-1001B
Descriptor: (E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1H-indol-4-yl)acrylic acid, CITRIC ACID, GLYCEROL, ...
Authors:Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J, Clifton, I.J.
Deposit date:2021-08-24
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors.
Nat Commun, 13, 2022
1BK0
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ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACV-FE COMPLEX)
Descriptor: FE (III) ION, ISOPENICILLIN N SYNTHASE, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Roach, P.L, Clifton, I.J, Hensgens, C.M.H, Shibata, N, Schofield, C.J, Hajdu, J, Baldwin, J.E.
Deposit date:1998-07-14
Release date:1999-01-13
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of isopenicillin N synthase complexed with substrate and the mechanism of penicillin formation.
Nature, 387, 1997
1BLZ
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BU of 1blz by Molmil
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACV-FE-NO COMPLEX)
Descriptor: FE (III) ION, ISOPENICILLIN N SYNTHASE, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
Authors:Roach, P.L, Clifton, I.J, Hensgens, C.M.H, Shibata, N, Schofield, C.J, Hajdu, J, Baldwin, J.E.
Deposit date:1998-07-22
Release date:1999-01-13
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of isopenicillin N synthase complexed with substrate and the mechanism of penicillin formation.
Nature, 387, 1997
2JB4
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Isopenicillin N synthase with a 2-thiabicycloheptan-6-one product analogue
Descriptor: (1S,4S,5S,7R)-7-{[(5S)-5-AMINO-5-CARBOXYPENTANOYL]AMINO}-3,3-DIMETHYL-6-OXO-2-THIABICYCLO[3.2.0]HEPTANE-4-CARBOXYLIC ACID, FE (III) ION, GLYCEROL, ...
Authors:Stewart, A.C, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J.
Deposit date:2006-12-01
Release date:2007-10-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A Cyclobutanone Analogue Mimics Penicillin in Binding to Isopenicillin N Synthase.
Chembiochem, 8, 2007
5J4R
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BU of 5j4r by Molmil
WELO5 SMALL MOLECULE HALOGENASE WITH NI(II) AND 2-OXOGLUTARATE
Descriptor: 2-OXOGLUTARIC ACID, NICKEL (II) ION, WelO5
Authors:McDonough, M.A, Gallimore, E, Clifton, I.J, Schofield, C.J.
Deposit date:2016-04-01
Release date:2017-04-12
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:WELO5 SMALL MOLECULE HALOGENASE WITH NI(II) AND 2-OXOGLUTARATE
To Be Published
5J8X
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CRYSTAL STRUCTURE OF E. COLI PBP5 WITH 2C
Descriptor: (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, D-alanyl-D-alanine carboxypeptidase DacA
Authors:Brem, J, Cain, R, McDonough, M.A, Clifton, I.J, Fishwick, C.W.G, Schofield, C.J.
Deposit date:2016-04-08
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
1BTU
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BU of 1btu by Molmil
PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4R)-1-TOLUENESULPHONYL-3-ETHYL-AZETIDIN-2-ONE-4-CARBOXYLIC ACID
Descriptor: (3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-L-aspartic acid, CALCIUM ION, ELASTASE, ...
Authors:Wilmouth, R.C, Clifton, I.J, Schofield, C.J.
Deposit date:1998-09-01
Release date:1999-02-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Inhibition of elastase by N-sulfonylaryl beta-lactams: anatomy of a stable acyl-enzyme complex.
Biochemistry, 37, 1998
1ODN
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ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN-EXPOSED PRODUCT FROM ANAEROBIC AC-VINYLGLYCINE FE COMPLEX)
Descriptor: 6-(5-AMINO-5-CARBOXY-PENTANOYLAMINO)-3-HYDROXYMETHYL-7-OXO-4-THIA-1-AZA-BICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, FE (II) ION, ISOPENICILLIN N SYNTHASE, ...
Authors:Elkins, J.M, Rutledge, P.J, Burzlaff, N.I, Clifton, I.J, Adlington, R.M, Roach, P.L, Baldwin, J.E.
Deposit date:2003-02-19
Release date:2003-06-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic Studies on the Reaction of Isopenicillin N Synthase with an Unsaturated Substrate Analogue
Org.Biomol.Chem., 1, 2003
1ODM
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ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ANAEROBIC AC-VINYLGLYCINE FE COMPLEX)
Descriptor: DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHASE, ...
Authors:Elkins, J.M, Rutledge, P.J, Burzlaff, N.I, Clifton, I.J, Adlington, R.M, Roach, P.L, Baldwin, J.E.
Deposit date:2003-02-19
Release date:2003-06-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystallographic Studies on the Reaction of Isopenicillin N Synthase with an Unsaturated Substrate Analogue
Org.Biomol.Chem., 1, 2003
1QIQ
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ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACmC Fe COMPLEX)
Descriptor: FE (III) ION, ISOPENICILLIN N SYNTHASE, N-[N-[2-AMINO-6-OXO-HEXANOIC ACID-6-YL]CYSTEINYL]-S-METHYLCYSTEINE, ...
Authors:Rutledge, P.J, Clifton, I.J, Burzlaff, N.I, Roach, P.L, Adlington, R.M, Baldwin, J.E.
Deposit date:1999-06-15
Release date:2000-06-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction.
Nature, 401, 1999
1QJE
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Isopenicillin N synthase from Aspergillus nidulans (IP1 - Fe complex)
Descriptor: FE (II) ION, ISOPENICILLIN N, ISOPENICILLIN N SYNTHASE, ...
Authors:Burzlaff, N.I, Clifton, I.J, Rutledge, P.J, Roach, P.L, Adlington, R.M, Baldwin, J.E.
Deposit date:1999-06-23
Release date:2000-06-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction
Nature, 401, 1999
1QJF
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ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (Monocyclic Sulfoxide - Fe COMPLEX)
Descriptor: 1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-(4R)-SULFANYLAZETIDIN-2-ONE, FE (II) ION, ISOPENICILLIN N SYNTHASE, ...
Authors:Rutledge, P.J, Clifton, I.J, Burzlaff, N.I, Roach, P.L, Adlington, R.M, Baldwin, J.E.
Deposit date:1999-06-23
Release date:2000-06-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Reaction Cycle of Isopenicillin N Synthase Observed by X-Ray Diffraction
Nature, 401, 1999
1UZW
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BU of 1uzw by Molmil
ISOPENICILLIN N SYNTHASE WITH L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-ISODEHYDROVALINE
Descriptor: D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-ISODEHYDROVALINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ...
Authors:Grummitt, A.R, Rutledge, P.J, Clifton, I.J, Baldwin, J.E.
Deposit date:2004-03-17
Release date:2004-06-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Active Site Mediated Elimination of Hydrogen Fluoride from a Fluorinated Substrate Analogue by Isopenicillin N Synthase
Biochem.J., 382, 2004
6H9J
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Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPV3 (229-255)
Descriptor: GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ...
Authors:Leissing, T.M, Clifton, I.J, Saward, B.G, Lu, X, Hopkinson, R.J, Schofield, C.J.
Deposit date:2018-08-04
Release date:2019-08-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPV3 (229-255)
To Be Published
6HC8
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Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPA1 (313-339)
Descriptor: GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ...
Authors:Leissing, T.M, Clifton, I.J, Saward, B.G, Lu, X, Hopkinson, R.J, Schofield, C.J.
Deposit date:2018-08-14
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPA1 (313-339)
To Be Published
6HA6
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Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPV3 (220-246)
Descriptor: GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ...
Authors:Leissing, T.M, Clifton, I.J, Saward, B.G, Lu, X, Hopkinson, R.J, Schofield, C.J.
Deposit date:2018-08-07
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPV3 (220-246)
To Be Published

217705

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